3,4-bis(chloranyl)-N-[2-[5-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[2-[5-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[2-[4-allyl-5-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichloro-benzamide CAS Name: 3,4-dichloro-N-[2-[5-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 3,4-dichloro-N-[2-[5-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[2-[4-allyl-5-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-3,4-dichloro-benzamide Formula: C23H22Cl3N5O2S MolecularWeight: 538.87708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl)Cl

InChI

InChI=1S/C23H22Cl3N5O2S/c1-3-10-31-20(8-9-27-22(33)15-5-7-17(24)19(26)11-15)29-30-23(31)34-13-21(32)28-16-6-4-14(2)18(25)12-16/h3-7,11-12H,1,8-10,13H2,2H3,(H,27,33)(H,28,32)